Download MendeleyStructures of Human Minicalpains bound to Inhibitors
Davis, T.L., Paramanathan, R., Walker, J.R., Butler-Cole, C., Finerty Jr., P.J., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S.To be published.
2P0R
Structure of Human Calpain 9 in complex with Leupeptin
- PDB DOI: https://doi.org/10.2210/pdb2P0R/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens, Streptomyces roseus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2007-03-01 Released: 2007-03-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.269
- R-Value Work: 0.210
- R-Value Observed: 0.213
wwPDB Validation 3D Report Full Report
This is version 1.4 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Calpain-9 | 333 | Homo sapiens | Mutation(s): 0 Gene Names: CAPN9, NCL4 EC: 3.4.22.52 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O14815 (Homo sapiens) Explore O14815 Go to UniProtKB: O14815 | |||||
PHAROS: O14815 GTEx: ENSG00000135773 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O14815 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| leupeptin | C [auth D], D [auth E] | 4 | Streptomyces roseus | Mutation(s): 0 |  |
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CA Query on CA | E [auth A], F [auth A], G [auth A], H [auth B], I [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| AR7 Query on AR7 | C [auth D], D [auth E] | PEPTIDE-LIKE | C6 H17 N4 O2 |  | ARG |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
| PRD_000216 Query on PRD_000216 | C [auth D], D [auth E] | LEUPEPTIN | Oligopeptide / Enzyme inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.269
- R-Value Work: 0.210
- R-Value Observed: 0.213
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 97.165 | α = 90 |
| b = 97.165 | β = 90 |
| c = 173.378 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2007-03-20 Deposition Author(s): Davis, T.L., Paramanathan, R., Walker, J.R., Butler-Cole, C., Finerty Jr., P.J., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2007-03-20
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance - Version 1.3: 2012-12-12
Changes: Other - Version 1.4: 2023-08-30
Changes: Data collection, Database references, Derived calculations, Refinement description
